2-[2-methyl-5-(4-phenethylpiperazin-1-yl)sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-methyl-5-(4-phenethylpiperazin-1-yl)sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[2-methyl-5-(4-phenethylpiperazin-1-yl)sulfonyl-phenyl]acetic acid CAS Name: 2-[2-methyl-5-[(4-phenethyl-1-piperazinyl)sulfonyl]phenyl]acetic acid IUPAC Name: 2-[2-methyl-5-(4-phenethylpiperazin-1-yl)sulfonylphenyl]acetic acid Traditional Name: 2-[2-methyl-5-(4-phenethylpiperazino)sulfonyl-phenyl]acetic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C21H26N2O4S/c1-17-7-8-20(15-19(17)16-21(24)25)28(26,27)23-13-11-22(12-14-23)10-9-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,24,25)